Geometry & MOs

Info

ID:	337989
PubChem CID:	127258612
Reduced:	OC3H6 (3)
Stoich.:	AB3C6 (3)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-173.43
Dipole, Da:	2.32
IP(EA), eV:	-10.37(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,3-benzodioxol-5-yl)methyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)(CC)O

DOS

IR

Vibrations